SCHEMBL9704065

SCHEMBL9704065

CCCCc1nc2ccc(NCC3CCCCC3)nc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.49
AGTR1 P30556 5/20 0.48
AGTR2 P50052 4/20 0.48
MME P08473 2/20 0.46
ENPP2 Q13822 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9704646 0.91 AGTR2 (0.46) TLR7AGTR1AGTR2MMEENPP2
SCHEMBL9704451 0.89 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9704062 0.89 AGTR1 (0.60) AGTR1AGTR2MME
SCHEMBL9705252 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9703999 0.88 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9704743 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9704922 0.88 AGTR1 (0.49) TLR7AGTR1AGTR2
SCHEMBL9704336 0.87 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9704474 0.87 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9704116 0.87 AGTR1 (0.51) AGTR1AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed